Detailed information for compound 1366234

Basic information

Technical information
  • TDR Targets ID: 1366234
  • Name: K305-0490
  • MW: 539.003 | Formula: C26H23ClN4O5S
  • H donors: 1 H acceptors: 4 LogP: 4.05 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCOC(=O)N1CCc2c(C1)sc1c2c(=O)n(c(=O)n1CC(=O)Nc1ccccc1)c1ccc(cc1)Cl
  • InChi: 1S/C26H23ClN4O5S/c1-2-36-26(35)29-13-12-19-20(14-29)37-24-22(19)23(33)31(18-10-8-16(27)9-11-18)25(34)30(24)15-21(32)28-17-6-4-3-5-7-17/h3-11H,2,12-15H2,1H3,(H,28,32)
  • InChiKey: CEJRHTIDARHMDI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • NCGC00138748-01

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii alpha tubulin TUBA1 0.0041 0.8795 1
Leishmania major alpha tubulin 0.0041 0.8795 1
Loa Loa (eye worm) tubulin beta-1 chain 0.0022 0.1249 0.1249
Echinococcus multilocularis tubulin alpha chain 0.0041 0.8795 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0041 0.8795 1
Brugia malayi Tubulin alpha chain 0.0041 0.8795 0.8623
Echinococcus granulosus tubulin alpha chain 0.0041 0.8795 1
Echinococcus multilocularis tubulin alpha chain 0.0041 0.8795 1
Echinococcus granulosus tubulin alpha 3 chain 0.0041 0.8795 1
Loa Loa (eye worm) BEN-1 protein 0.0022 0.1249 0.1249
Brugia malayi alpha-tubulin 0.0041 0.8795 0.8623
Loa Loa (eye worm) hypothetical protein 0.0029 0.3819 0.3819
Leishmania major alpha tubulin 0.0041 0.8795 1
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0032 0.4976 0.4976
Echinococcus multilocularis tubulin alpha 3 chain 0.0041 0.8795 1
Trichomonas vaginalis tubulin beta chain, putative 0.0041 0.8795 1
Schistosoma mansoni tubulin subunit alpha 0.0041 0.8795 1
Echinococcus multilocularis tubulin alpha 1C chain 0.0041 0.8795 1
Trypanosoma brucei alpha tubulin 0.0041 0.8795 1
Loa Loa (eye worm) hypothetical protein 0.003 0.4448 0.4448
Loa Loa (eye worm) tubulin alpha 2 0.0032 0.4976 0.4976
Plasmodium falciparum alpha tubulin 2 0.0041 0.8795 1
Echinococcus multilocularis tubulin alpha 3 chain 0.0041 0.8795 1
Echinococcus granulosus tubulin alpha chain 0.0041 0.8795 1
Loa Loa (eye worm) tubulin alpha 2 0.0032 0.4976 0.4976
Trichomonas vaginalis tubulin epsilon chain, putative 0.0041 0.8795 1
Loa Loa (eye worm) tubulin alpha-2 chain 0.0041 0.8795 0.8795
Trypanosoma brucei alpha tubulin 0.0041 0.8795 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.0041 0.8795 1
Schistosoma mansoni alpha tubulin 0.0041 0.8795 1
Echinococcus multilocularis tubulin alpha chain 0.0041 0.8795 1
Trichomonas vaginalis tubulin beta chain, putative 0.0041 0.8795 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0044 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0041 0.8795 1
Loa Loa (eye worm) tubulin alpha chain 0.0041 0.8795 0.8795
Brugia malayi Tubulin alpha-2 chain 0.0041 0.8795 0.8623
Echinococcus multilocularis hypothetical protein 0.0041 0.8795 1
Trypanosoma cruzi alpha tubulin, putative 0.0041 0.8795 1
Leishmania major alpha tubulin 0.0041 0.8795 1
Loa Loa (eye worm) tubulin beta chain 0.0022 0.1249 0.1249
Echinococcus granulosus Tubulin alpha 1 chain 0.0041 0.8795 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.0041 0.8795 1
Echinococcus granulosus tubulin subunit TubB 0.0041 0.8795 1
Leishmania major alpha tubulin 0.0041 0.8795 1
Echinococcus granulosus tubulin alpha 3 chain 0.0041 0.8795 1
Loa Loa (eye worm) BEN-1 protein 0.0022 0.1249 0.1249
Leishmania major alpha tubulin 0.0041 0.8795 1
Echinococcus granulosus tubulin alpha chain 0.0041 0.8795 1
Leishmania major alpha tubulin 0.0041 0.8795 1
Plasmodium vivax tubulin alpha chain, putative 0.0041 0.8795 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0041 0.8795 1
Brugia malayi tubulin alpha chain - mouse 0.0041 0.8795 0.8623
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0029 0.3819 0.3406
Echinococcus granulosus Tubulin alpha 1 chain 0.0041 0.8795 1
Loa Loa (eye worm) alpha-tubulin 0.0041 0.8795 0.8795
Plasmodium vivax tubulin alpha chain, putative 0.0041 0.8795 1
Entamoeba histolytica tubulin alpha chain, putative 0.0041 0.8795 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0044 1 1
Trypanosoma brucei alpha tubulin 0.0041 0.8795 1
Trichomonas vaginalis tubulin beta chain, putative 0.0041 0.8795 1
Loa Loa (eye worm) tubulin gamma chain 0.0022 0.1249 0.1249
Brugia malayi tubulin alpha-2 chain 0.0041 0.8795 0.8623
Echinococcus multilocularis tubulin alpha chain 0.0041 0.8795 1
Echinococcus multilocularis tubulin subunit TubB 0.0041 0.8795 1
Loa Loa (eye worm) tubulin alpha-3 chain 0.0029 0.3819 0.3819
Leishmania major alpha tubulin 0.0041 0.8795 1
Leishmania major alpha tubulin 0.0041 0.8795 1
Schistosoma mansoni alpha tubulin 0.0041 0.8795 1
Loa Loa (eye worm) tubulin alpha chain 0.0041 0.8795 0.8795
Echinococcus multilocularis peroxisome assembly protein 26 0.0041 0.8795 1
Giardia lamblia Alpha-tubulin 0.0041 0.8795 1
Schistosoma mansoni alpha tubulin 0.0041 0.8795 1
Echinococcus multilocularis tubulin alpha chain 0.0041 0.8795 1
Loa Loa (eye worm) tubulin beta-2A chain 0.0022 0.1249 0.1249
Leishmania major alpha tubulin 0.0041 0.8795 1
Echinococcus granulosus tubulin alpha chain 0.0041 0.8795 1
Leishmania major alpha tubulin 0.0041 0.8795 1
Trichomonas vaginalis tubulin beta chain, putative 0.0041 0.8795 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.8795 0.8795
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0032 0.4976 0.494
Leishmania major alpha tubulin 0.0041 0.8795 1
Leishmania major alpha tubulin 0.0041 0.8795 1
Giardia lamblia Alpha-tubulin 0.0041 0.8795 1
Loa Loa (eye worm) hypothetical protein 0.0044 1 1
Echinococcus multilocularis tubulin alpha 1C chain 0.0041 0.8795 1
Echinococcus granulosus peroxisome assembly protein 26 0.0041 0.8795 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0041 0.8795 1
Schistosoma mansoni hypothetical protein 0.003 0.4448 0.424
Echinococcus granulosus tubulin alpha 1C chain 0.0041 0.8795 1
Plasmodium falciparum alpha tubulin 1 0.0041 0.8795 1
Trichomonas vaginalis tubulin beta chain, putative 0.0041 0.8795 1
Loa Loa (eye worm) alpha-tubulin 0.0041 0.8795 0.8795
Schistosoma mansoni tubulin subunit alpha 0.0041 0.8795 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.4976 0.4976
Brugia malayi Tubulin alpha-2 chain 0.0041 0.8795 0.8623
Loa Loa (eye worm) beta-tubulin 0.0022 0.1249 0.1249
Entamoeba histolytica tubulin alpha-1 chain 0.0041 0.8795 1
Schistosoma mansoni tubulin subunit alpha 0.0041 0.8795 1
Echinococcus granulosus alpha tubulin 0.0041 0.8795 1
Echinococcus multilocularis Tubulin alpha 1 chain 0.0041 0.8795 1
Loa Loa (eye worm) tubulin beta-4 chain 0.0022 0.1249 0.1249
Echinococcus granulosus tubulin alpha 1C chain 0.0041 0.8795 1
Trypanosoma brucei alpha tubulin 0.0041 0.8795 1
Brugia malayi latrophilin 2 splice variant baaae 0.003 0.4448 0.3656
Toxoplasma gondii alpha-tubulin I, putative 0.0041 0.8795 1
Echinococcus granulosus tubulin alpha chain 0.0041 0.8795 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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